CID 297422

2-norbornanepropylamine, 3-aminomethyl-n-(p-methoxybenzyl)-

Structural Information

Molecular Formula
C19H30N2O
SMILES
COC1=CC=C(C=C1)CNCCCC2C3CCC(C3)C2CN
InChI
InChI=1S/C19H30N2O/c1-22-17-8-4-14(5-9-17)13-21-10-2-3-18-15-6-7-16(11-15)19(18)12-20/h4-5,8-9,15-16,18-19,21H,2-3,6-7,10-13,20H2,1H3
InChIKey
VXPLTWCPKHWOST-UHFFFAOYSA-N
Compound name
3-[3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 174.4
[M+Na]+ 325.22502 178.1
[M-H]- 301.22852 179.1
[M+NH4]+ 320.26962 193.9
[M+K]+ 341.19896 173.4
[M+H-H2O]+ 285.23306 167.6
[M+HCOO]- 347.23400 195.5
[M+CH3COO]- 361.24965 211.5
[M+Na-2H]- 323.21047 173.9
[M]+ 302.23525 173.5
[M]- 302.23635 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.